(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

InChI

InChI=1S/C23H18N4O3S/c1-14-16-11-15(12-24-22(16)26(2)25-14)23(29)30-13-21(28)27-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)27/h3-12H,13H2,1-2H3